SCHEMBL29642415

SCHEMBL29642415

NC(=O)c1ccnc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.50
CDK8 P49336 1/20 0.50
PARP1 P09874 2/20 0.48
KDM4B O94953 1/20 0.47
KDM5C P41229 1/20 0.47
KDM5B Q9UGL1 1/20 0.47
MAP4K4 O95819 3/20 0.46
MKNK1 Q9BUB5 2/20 0.44
MKNK2 Q9HBH9 2/20 0.44
TAS1R3 Q7RTX0 2/20 0.44
TAS1R1 Q7RTX1 2/20 0.44
TAS1R2 Q8TE23 2/20 0.44
RECQL P46063 1/20 0.44
LOX P28300 1/20 0.44
LOXL3 P58215 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
SMARCA2 P51531 2/20 0.43
SMARCA4 P51532 2/20 0.43
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1569241 1.00 CCNC (0.50) CCNCCDK8PARP1KDM4BKDM5C
Hydrochloric Acid SCHEMBL14759172 0.98 CCNC (0.49) CCNCCDK8PARP1KDM4BKDM5C
SCHEMBL3863943 0.98 CCNC (0.49) CCNCCDK8PARP1KDM4BKDM5C
Acetonitrile SCHEMBL21495142 0.89 CYP11B1 (0.44) CCNCCDK8PARP1KDM4BKDM5C
Butyramide SCHEMBL27747635 0.85 LMNA (0.42) CCNCCDK8PARP1KDM4BKDM5C
SCHEMBL27804142 0.84 RAB9A (0.42) CCNCCDK8PARP1KDM4BKDM5C
SCHEMBL27623752 0.83 RECQL (0.47) CCNCCDK8KDM5CKDM5BTAS1R3
SCHEMBL73194 0.81 TAS1R3 (0.45) CCNCCDK8KDM5CKDM5BTAS1R3
SCHEMBL14204663 0.81 TAS1R3 (0.45) CCNCCDK8KDM5CKDM5BTAS1R3
SCHEMBL40123 0.81 KDM4C (0.61) KDM4BKDM5CKDM5BTAS1R3TAS1R1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12240862-B2 Inhibitors of peptidylarginine deiminases GILEAD SCIENCES, INC. (US) 2025-03-04 US disclosed
EP-4267587-A2 INHIBITORS OF PEPTIDYLARGININE DEIMINASES Gilead Sciences, Inc. (US) 2023-11-01 EP disclosed
WO-2022140428-A2 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2022-06-30 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12240862-B2 Inhibitors of peptidylarginine deiminases PADI4, PADI2, PADI1 CCNC 3380/4885CDK8 1962/4885PARP1 313/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.